2IFA
Crystal Structure of the PUTATIVE NITROREDUCTASE (SMU.260) IN COMPLEX WITH FMN FROM STREPTOCOCCUS MUTANS, NORTHEAST STRUCTURAL GENOMICS TARGET SMR5.
Replaces: 1YW3Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-02-08 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97894 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 109.435, 60.871, 109.155 |
| Unit cell angles | 90.00, 117.83, 90.00 |
Refinement procedure
| Resolution | 29.030 - 2.300 |
| R-factor | 0.218 |
| Rwork | 0.218 |
| R-free | 0.27300 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.000 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SnB |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.030 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.067 | 0.228 |
| Number of reflections | 106951 | |
| <I/σ(I)> | 17.5 | 5.2 |
| Completeness [%] | 96.7 | 96.7 |
| Redundancy | 4 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 100 MM SODIUM ACETATE, 18% PEG3350, 240 MM AMMONIUM DIHYDROGEN PHOSPHATE, 10 MM FMN, AND 5 DTT., pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
